(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride

C10H17ClN2O3SCAS 112101-75-4280.77 g/mol

Open in Covalent MOL file
ONH2SH2NOOHCl
EtherPrimary amineSulfonamide

Properties

Molecular formula
C10H17ClN2O3S
Molar mass
280.77 g/mol
Exact mass
280.0648 Da
Melting point
276–278 °C
logP
0.65Crippen estimate
Polar surface area
95.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
112101-75-4
SMILES
COc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O.Cl
InChIKey
KYRRNJIOCLALJQ-OGFXRTJISA-N
InChI
InChI=1S/C10H16N2O3S.ClH/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14;/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14);1H/t7-;/m1./s1

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Names and synonyms

4 names
  • Benzenesulfonamide, 5-[(2R)-2-aminopropyl]-2-methoxy-, hydrochloride (1:1)
  • Benzenesulfonamide, 5-(2-aminopropyl)-2-methoxy-, monohydrochloride, (R)-
  • Benzenesulfonamide, 5-[(2R)-2-aminopropyl]-2-methoxy-, monohydrochloride
  • (R)-(+)-5-(2-Aminopropyl)-2-methoxybenzene sulfonamide hydrochloride

Work with (R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide112101-81-2Free base

Similar compounds

Tamsulosin hydrochloride106463-17-656 % similar Dl-Tamsulosin hydrochloride80223-99-056 % similar 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-555 % similar 2,5-Dimethoxybenzenesulfonamide19116-90-652 % similar Tamsulosin106133-20-452 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-140 % similar (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-440 % similar 3-Chloro-4-methoxybenzylamine hydrochloride41965-95-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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